The ability to change material properties through phase engineering has long been sought,
with the goal of ad hoc tunability of the physical and chemical properties of the transformed …

Two-dimensional diamond, or diamane, is an ultrathin film with unique physical properties
that combine the record values of the bulk crystal with the exciting features caused by the …

New materials are the backbone of their technology‐driven modern civilization and at
present carbon nanostructures are the leading candidates that have attracted huge research …

In this study SO 2 adsorption on intrinsic graphene (IG), Ni-doped graphene (NiG) and Pd-
doped graphene (PdG) has been analyzed and studied using density functional theory …

Exposure to nitrogen oxides (NO x) has been reported to seriously affect the respiratory
systems. More precisely, breathing NO x may lead to the appearance of asthma symptoms …

In this study, the adsorption performances of graphene before and after modification to H2S
and CH4 molecules were studied using first principles with the density functional theory …

Recently, defective graphene (DG) are being highly studied nanosheet as a gas sensor. To
investigate the adsorption behavior of oxygen containing gas molecules such as CO, NO …

Hydrogen sulfide and sulfur dioxide are highly hazardous gases, thus, the development of
highly sensitive and selective materials for their adsorption is desirable. The effect of Cu …

By means of the Monte Carlo simulation, the influence of exchange couplings and the
applied magnetic field on the magnetic behaviors and magnetocaloric effect of a …

Transition metal doping plays a significant role to regulate the electronic properties of the
material substrates. In this paper, the effect of Cr dopant on InP 3 monolayer and its …